| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 26 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.57 | 11.14 | -83.67 | 2 | 5 | 2 | 44 | 358.482 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 6.06 | -8.4 | 0 | 5 | 0 | 42 | 356.466 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 8.68 | -42.47 | 1 | 5 | 1 | 43 | 357.474 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000008001A1 | IBM Patent Data |
